Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLCVMMLLFSAIASFPVSAQAKDQDAGILIIYSTLDGKESSQVKMLDLLAGHFTSHVTVKKDSDVEASDFKGKDHVIYYGQTKRKLSQKLLSLISGVKKPVVAIGYNAGQISQFSGLSLARKENVFQVHSRSEKADVSLESGLNVLSVSGLKGTALYTFKADEGTTHSFIWKTKKGNVYIGLTNLLNDNLIVAKQLREAFGEKAGTTLLYLRLEDISPMSDEKLLLQAGTYLHKRHIP-FILAVIPVYLNPETGDKVYLSNQPKMVKVLKKLQSMGGSIIVHGYTHAYRYSETGEGFEFWDAKADQPITSGNAEDPPSILEKEQDFPNEQAYHSYLEPFREKEETYTKQKLTRAIEDLTSSG-LYPLAFEAPHYTMSEYGYQIAS-QYFTSIFGQVQLSSTTWKTSGAPPFVTAPSMLHGMTLYPETIGFVDTSKQNPLGEMEEHISQMIDFEGGVAGGFYHPYL----GMKYLPELVDQMERIPDSEWLDLKKTKQTVKTDKVEIHTSGDGTIQVKNGVSPIYEFFDHHRQTPLEKALWILSAVVLLFVIMFVSYTFYLRATLKKRIFKERRSLG 4M1B Chain:A ((54-243)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSKKQVAFTFDI-SWGD--KKAIPILDTLKERDIKNATFFLSAAWAER----------H---PDVVERIIKDGHEIGSMGYNYTSYTS--------------------------------------------------LETNEIRRDLLRAQDVFTKLGVKQIKLLRPPSGDFNKATLKIAESLGYTVVHWSNNSND--W--------KN-----P------------------GVNKIVSTVSNN-LKGGDIVLL--HASDSALQTNKALPLLLQKLKSD-GYEQISVSQLI--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4M1B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 946 -89998 -95.13 -491.79 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -95.13 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_4M1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M1B-query.scw PDB file : Tito_Scwrl_4M1B.pdb: